6-[[5-(2,4-dichlorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]tetrazolo[1,5-b]pyridazine

C18H10Cl2N8S — CID 25336083

IUPAC6-[[5-(2,4-dichlorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]tetrazolo[1,5-b]pyridazine
SMILESClc1ccc(-c2nnc(Sc3ccc4nnnn4n3)n2-c2ccccc2)c(Cl)c1
InChIInChI=1S/C18H10Cl2N8S/c19-11-6-7-13(14(20)10-11)17-22-23-18(27(17)12-4-2-1-3-5-12)29-16-9-8-15-21-25-26-28(15)24-16/h1-10H
InChIKeyZZTYEHYOYVOHPH-UHFFFAOYSA-N
MW441.31 g/mol
LogP4.22
Rot. Bonds4

About 6-[[5-(2,4-dichlorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]tetrazolo[1,5-b]pyridazine

6-[[5-(2,4-dichlorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]tetrazolo[1,5-b]pyridazine (PubChem CID 25336083) has the molecular formula C18H10Cl2N8S and a molecular weight of 441.31 g/mol. Its IUPAC name is 6-[[5-(2,4-dichlorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]tetrazolo[1,5-b]pyridazine.

Molecular Properties

Compound Name6-[[5-(2,4-dichlorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]tetrazolo[1,5-b]pyridazine
PubChem CID25336083
Molecular FormulaC18H10Cl2N8S
Molecular Weight441.31 g/mol
Exact Mass440.01
IUPAC Name6-[[5-(2,4-dichlorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]tetrazolo[1,5-b]pyridazine
SMILESClc1ccc(-c2nnc(Sc3ccc4nnnn4n3)n2-c2ccccc2)c(Cl)c1
InChIInChI=1S/C18H10Cl2N8S/c19-11-6-7-13(14(20)10-11)17-22-23-18(27(17)12-4-2-1-3-5-12)29-16-9-8-15-21-25-26-28(15)24-16/h1-10H
InChIKeyZZTYEHYOYVOHPH-UHFFFAOYSA-N
XLogP4.22
TPSA86.68 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.31
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 6-[[5-(2,4-dichlorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]tetrazolo[1,5-b]pyridazine?
The IUPAC name of 6-[[5-(2,4-dichlorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]tetrazolo[1,5-b]pyridazine (CID 25336083) is 6-[[5-(2,4-dichlorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]tetrazolo[1,5-b]pyridazine.
What is the SMILES notation for 6-[[5-(2,4-dichlorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]tetrazolo[1,5-b]pyridazine?
The canonical SMILES for 6-[[5-(2,4-dichlorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]tetrazolo[1,5-b]pyridazine is Clc1ccc(-c2nnc(Sc3ccc4nnnn4n3)n2-c2ccccc2)c(Cl)c1.
What is the InChIKey of 6-[[5-(2,4-dichlorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]tetrazolo[1,5-b]pyridazine?
The InChIKey is ZZTYEHYOYVOHPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10Cl2N8S/c19-11-6-7-13(14(20)10-11)17-22-23-18(27(17)12-4-2-1-3-5-12)29-16-9-8-15-21-25-26-28(15)24-16/h1-10H.
What are the key properties of 6-[[5-(2,4-dichlorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]tetrazolo[1,5-b]pyridazine?
6-[[5-(2,4-dichlorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]tetrazolo[1,5-b]pyridazine has a molecular weight of 441.31 g/mol, XLogP of 4.22, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[5-(2,4-dichlorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]tetrazolo[1,5-b]pyridazine is sourced from PubChem (CID 25336083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).